SCHEMBL4488079

SCHEMBL4488079

COCC(=O)Nc1n[nH]c2cc(-c3cc(C(C)C)ccc3OC)ccc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.56
HDAC2 Q92769 8/20 0.56
HDAC8 Q9BY41 8/20 0.56
HDAC6 Q9UBN7 4/20 0.54
GSK3B P49841 7/20 0.48
MAPK1 P28482 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4494626 0.92 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4491831 0.89 HDAC1 (0.62) HDAC1HDAC2HDAC8GSK3B
SCHEMBL4499137 0.88 HDAC6 (0.55) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4495354 0.88 HDAC1 (0.50) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4492264 0.86 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4494443 0.86 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4499922 0.86 HDAC6 (0.71) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4488476 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4476112 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4494137 0.85 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC6GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed